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I'm currently working with PDB files and frequently find myself in the situation that I need to edit them, specifically the columns for charge and B-values which I need as input for quantum chemical software. I've written a small Python program to handle some basic parsing, querying and editing but I'm also currently learning Rust and thought it might be a good exercise somewhere along the line to implement my use case in Rust and maybe add some features to my original Python implementation.
Since reinventing the wheel might not be the best idea I though, a quick web search led me here and it seems someone else had a similar idea before me. Your readme says that you may be interested in making this into an actual library, does that still apply?
Best
The text was updated successfully, but these errors were encountered:
Hi Justin,
I'm currently working with PDB files and frequently find myself in the situation that I need to edit them, specifically the columns for charge and B-values which I need as input for quantum chemical software. I've written a small Python program to handle some basic parsing, querying and editing but I'm also currently learning Rust and thought it might be a good exercise somewhere along the line to implement my use case in Rust and maybe add some features to my original Python implementation.
Since reinventing the wheel might not be the best idea I though, a quick web search led me here and it seems someone else had a similar idea before me. Your readme says that you may be interested in making this into an actual library, does that still apply?
Best
The text was updated successfully, but these errors were encountered: